3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine

C24H22Cl2FN4OP — CID 174227570

IUPAC3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
SMILESCc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2ccccc2Cl)c1Cl
InChIInChI=1S/C24H22Cl2FN4OP/c1-13(16-7-5-6-8-17(16)25)30-24-21(26)14(2)29-19-11-18(27)22(31-23(19)24)15-9-10-20(28-12-15)33(3,4)32/h5-13H,1-4H3,(H,29,30)
InChIKeyMBIQRUCYWKOSLD-UHFFFAOYSA-N
MW503.35 g/mol
LogP6.87
Rot. Bonds5

About 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine

3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine (PubChem CID 174227570) has the molecular formula C24H22Cl2FN4OP and a molecular weight of 503.35 g/mol. Its IUPAC name is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
PubChem CID174227570
Molecular FormulaC24H22Cl2FN4OP
Molecular Weight503.35 g/mol
Exact Mass502.09
IUPAC Name3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine
SMILESCc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2ccccc2Cl)c1Cl
InChIInChI=1S/C24H22Cl2FN4OP/c1-13(16-7-5-6-8-17(16)25)30-24-21(26)14(2)29-19-11-18(27)22(31-23(19)24)15-9-10-20(28-12-15)33(3,4)32/h5-13H,1-4H3,(H,29,30)
InChIKeyMBIQRUCYWKOSLD-UHFFFAOYSA-N
XLogP6.87
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.35
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?
The IUPAC name of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine (CID 174227570) is 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?
The canonical SMILES for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine is Cc1nc2cc(F)c(-c3ccc(P(C)(C)=O)nc3)nc2c(NC(C)c2ccccc2Cl)c1Cl.
What is the InChIKey of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?
The InChIKey is MBIQRUCYWKOSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN4OP/c1-13(16-7-5-6-8-17(16)25)30-24-21(26)14(2)29-19-11-18(27)22(31-23(19)24)15-9-10-20(28-12-15)33(3,4)32/h5-13H,1-4H3,(H,29,30).
What are the key properties of 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine?
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine has a molecular weight of 503.35 g/mol, XLogP of 6.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(6-dimethylphosphoryl-3-pyridinyl)-7-fluoro-2-methyl-1,5-naphthyridin-4-amine is sourced from PubChem (CID 174227570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).